2-[2,5-bis(azanyl)pentanoylamino]-3-quinolin-3-yl-propanoic acid

Systemtic Name: 2-[2,5-bis(azanyl)pentanoylamino]-3-quinolin-3-yl-propanoic acid Openeye Name: 2-(2,5-diaminopentanoylamino)-3-(3-quinolyl)propanoic acid CAS Name: 2-[(2,5-diamino-1-oxopentyl)amino]-3-(3-quinolinyl)propanoic acid IUPAC Name: 2-(2,5-diaminopentanoylamino)-3-quinolin-3-ylpropanoic acid Traditional Name: 2-(2,5-diaminopentanoylamino)-3-(3-quinolyl)propionic acid Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)CC(C(=O)O)NC(=O)C(CCCN)N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)CC(C(=O)O)NC(=O)C(CCCN)N

InChI

InChI=1S/C17H22N4O3/c18-7-3-5-13(19)16(22)21-15(17(23)24)9-11-8-12-4-1-2-6-14(12)20-10-11/h1-2,4,6,8,10,13,15H,3,5,7,9,18-19H2,(H,21,22)(H,23,24)